2,2-bis(2-chlorophenyl)propanediamide

C15H12Cl2N2O2 — CID 118221766

IUPAC2,2-bis(2-chlorophenyl)propanediamide
SMILESNC(=O)C(C(N)=O)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H12Cl2N2O2/c16-11-7-3-1-5-9(11)15(13(18)20,14(19)21)10-6-2-4-8-12(10)17/h1-8H,(H2,18,20)(H2,19,21)
InChIKeyNNBIKNMUJJSUFO-UHFFFAOYSA-N
MW323.18 g/mol
LogP2.25
Rot. Bonds4

About 2,2-bis(2-chlorophenyl)propanediamide

2,2-bis(2-chlorophenyl)propanediamide (PubChem CID 118221766) has the molecular formula C15H12Cl2N2O2 and a molecular weight of 323.18 g/mol. Its IUPAC name is 2,2-bis(2-chlorophenyl)propanediamide.

Molecular Properties

Compound Name2,2-bis(2-chlorophenyl)propanediamide
PubChem CID118221766
Molecular FormulaC15H12Cl2N2O2
Molecular Weight323.18 g/mol
Exact Mass322.03
IUPAC Name2,2-bis(2-chlorophenyl)propanediamide
SMILESNC(=O)C(C(N)=O)(c1ccccc1Cl)c1ccccc1Cl
InChIInChI=1S/C15H12Cl2N2O2/c16-11-7-3-1-5-9(11)15(13(18)20,14(19)21)10-6-2-4-8-12(10)17/h1-8H,(H2,18,20)(H2,19,21)
InChIKeyNNBIKNMUJJSUFO-UHFFFAOYSA-N
XLogP2.25
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.18
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2,2-bis(2,3-dichlorophenyl)propanediamide
CID 69106750
2-(2-chlorophenyl)-2-(propan-2-ylamino)propanamide
CID 60788357
2-(2-chlorophenyl)-2,2-difluoroacetyl fluoride
CID 118255532
2-(2-chlorophenyl)-2-(2-methylanilino)propanamide
CID 60996305
1-chloro-2-(trichloromethyl)benzene
CID 16494
2-amino-2-(2-chlorophenyl)-3,3-difluoropropanoic acid
CID 105497059
1-chloro-2-(trichloromethyl)benzene;hydrofluoride
CID 21414937
methyl 4-amino-3-(2-chlorophenyl)-3,4-dimethylpentanoate
CID 66096712
2-(2-chlorophenyl)propan-2-ol
CID 12759846
1,2-dichlorobenzene;1,1-dimethylurea
CID 161139113
1-chloro-2-[(2-chlorophenyl)-difluoromethyl]benzene
CID 22023801
1-chloro-2-(trifluoromethyl)benzene
CID 161495124

Frequently Asked Questions

What is the IUPAC name of 2,2-bis(2-chlorophenyl)propanediamide?
The IUPAC name of 2,2-bis(2-chlorophenyl)propanediamide (CID 118221766) is 2,2-bis(2-chlorophenyl)propanediamide.
What is the SMILES notation for 2,2-bis(2-chlorophenyl)propanediamide?
The canonical SMILES for 2,2-bis(2-chlorophenyl)propanediamide is NC(=O)C(C(N)=O)(c1ccccc1Cl)c1ccccc1Cl.
What is the InChIKey of 2,2-bis(2-chlorophenyl)propanediamide?
The InChIKey is NNBIKNMUJJSUFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N2O2/c16-11-7-3-1-5-9(11)15(13(18)20,14(19)21)10-6-2-4-8-12(10)17/h1-8H,(H2,18,20)(H2,19,21).
What are the key properties of 2,2-bis(2-chlorophenyl)propanediamide?
2,2-bis(2-chlorophenyl)propanediamide has a molecular weight of 323.18 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis(2-chlorophenyl)propanediamide is sourced from PubChem (CID 118221766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).